Base information
| Cat. No. | |
| CAS No. | 1227675-52-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C14H17N3O6 |
| Molecular Weight | 323.301 |
| Exact Mass | 323.112 |
| XLogP3 | 1.5343 |
| Mr | 85.7515 |
| PSA | 124.69 |
| Sequence | - |
| Atom number | 40 |
| Bond number | 41 |
| Ring number | 2 |
| Rotor number | 7 |
| Residues number | 0 |
| Canonical smiles | CN[C@@H](C(=O)O)CC(=O)N1CCc2c1c(ccc2OC)[N+](=O)[O-] |
